1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid

C7H8N2O4 — CID 114695876

IUPAC1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C7H8N2O4/c1-13-4-9-6(10)3-2-5(8-9)7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyAJTWZGCFJRHCIB-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.45
Rot. Bonds3

About 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid

1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 114695876) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID114695876
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C7H8N2O4/c1-13-4-9-6(10)3-2-5(8-9)7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyAJTWZGCFJRHCIB-UHFFFAOYSA-N
XLogP-0.45
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Hydroxymethyl)-2-methyl-pyridazin-3-one
CID 52947892
1,6-Dihydro-6-oxo-1-propyl-3-pyridazinecarboxylic acid
CID 2119245
1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2366695
1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 1965473
1-Methyl-6-oxo-pyridazine-3-carboxylate
CID 2366694
1-(2-Fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 114696025
Methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
CID 139512250
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 8899701
6-Oxo-1-(2,2,2-trifluoroethoxymethyl)pyridazine-3-carboxylic acid
CID 106705203
1-(Difluoromethyl)-6-oxopyridazine-3-carboxylic acid
CID 114696062
1-Isopropyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 52057201

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid (CID 114695876) is 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid is COCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is AJTWZGCFJRHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-4-9-6(10)3-2-5(8-9)7(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid?
1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).